4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

C12H15N3O5S — CID 43319909

IUPAC4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)n(C)n1
InChIInChI=1S/C12H15N3O5S/c1-6-5-9(15(4)13-6)14-21(18,19)11-8(3)20-7(2)10(11)12(16)17/h5,14H,1-4H3,(H,16,17)
InChIKeyDCQGTMNJNVSTSV-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.44
Rot. Bonds4

About 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43319909) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43319909
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)n(C)n1
InChIInChI=1S/C12H15N3O5S/c1-6-5-9(15(4)13-6)14-21(18,19)11-8(3)20-7(2)10(11)12(16)17/h5,14H,1-4H3,(H,16,17)
InChIKeyDCQGTMNJNVSTSV-UHFFFAOYSA-N
XLogP1.44
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (CID 43319909) is 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is Cc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)O)n(C)n1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is DCQGTMNJNVSTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-6-5-9(15(4)13-6)14-21(18,19)11-8(3)20-7(2)10(11)12(16)17/h5,14H,1-4H3,(H,16,17).
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43319909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).